ID: 100066
SMILES:C(O)C1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.888
InChIKey:PQLHCGPBCSGLBO-UHFFFAOYSA-N
ID: 100067
SMILES:C1CC2(C)Oc3cc(CCCC)cc(O)c3C3C=C(C(=O)O2)CCC(C(O)(C)C1)C3O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -16.032
InChIKey:AHUWZWYVPBVXPJ-UHFFFAOYSA-N
ID: 100068
SMILES:C12(C)C(=C)CC(C(C)C)C1c1c(O)cc(CCCCC)cc1OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.659
InChIKey:LIBCSIGZTGTRCP-UHFFFAOYSA-N
ID: 100069
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 100070
SMILES:C(C=C(C)C)CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -18.437
InChIKey:LAYJCXVNCKEKDA-UHFFFAOYSA-N
ID: 100071
SMILES:C(=C(C)C)CCC(C)=CC1Oc2c(c(O)cc(CCCCC)c2)C(=O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.544
InChIKey:LVZXXNOJNWDYCJ-UHFFFAOYSA-N
ID: 100072
SMILES:CCCCCc1cc(O)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 100073
SMILES:Oc1c(O)ccc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.899
InChIKey:AEBYCVCUESGFDB-UHFFFAOYSA-N
ID: 100074
SMILES:C1(c2c(O)cc(CC)cc2O)C=C(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.748
InChIKey:LLAAZDYTZYGRPH-UHFFFAOYSA-N
ID: 100075
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.058
InChIKey:UXOBYFHCQYPOAT-UHFFFAOYSA-N
ID: 100076
SMILES:C(C1C(C(C)C)CCC(=C)C12Oc1c(c(O)cc(CC[N+](C)(C)O)c1)C2)OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.554
CB1 binding score: -18.331
InChIKey:XEIYTHQRNHFEQQ-UHFFFAOYSA-O
ID: 100077
SMILES:CSC12C(C(C)C)(C=C(CO)CC1)Oc1c(c(OC)cc(CCCCC)c1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.599
CB1 binding score: -16.719
InChIKey:NWDXLEBLJDZCDQ-UHFFFAOYSA-N
ID: 100078
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 100079
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 100080
SMILES:C1CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.813
InChIKey:KKVTXJLSWQRXEO-UHFFFAOYSA-N
ID: 100081
SMILES:CC(=CCc1c(O)c(C=O)c(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 100082
SMILES:C1(O)C2c3c(c(CCCC)cc(O)c3)OC3OC(C)(C)C1(O3)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.557
InChIKey:DDYKWUNITFMZAM-UHFFFAOYSA-N
ID: 100083
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 100084
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C(C)(O)CCC=C(C)C)C2O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.752
InChIKey:PVCQPLXOJROTHR-UHFFFAOYSA-N
ID: 100085
SMILES:O(C1(CC=C(C)C)CC(C(C)=C)CC1c1cc(CCCCC)cc(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -14.296
InChIKey:XLSSZJRGOKNSLU-UHFFFAOYSA-N
ID: 100086
SMILES:C(Cc1c(O)cc(CCCCC)cc1O)=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N